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	hartrees
Energy at 0K	-1710.163937
Energy at 298.15K	-1710.167263
HF Energy	-1710.163937
Nuclear repulsion energy	437.267325

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2236	2150	43.72
2	A₁	919	883	102.68
3	A₁	871	838	134.26
4	A₁	433	416	9.00
5	A₁	279	269	10.42
6	A₂	198	191	0.00
7	E	2261	2174	72.62
7	E	2261	2174	72.63
8	E	930	893	54.54
8	E	930	893	54.52
9	E	760	730	62.20
9	E	760	730	62.20
10	E	602	579	61.69
10	E	602	579	61.70
11	E	270	259	0.01
11	E	270	259	0.01
12	E	153	147	0.03
12	E	153	147	0.03

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.873
C2	0.000	0.000	-0.051
H3	0.000	-1.421	2.314
H4	1.230	0.710	2.314
H5	-1.230	0.710	2.314
Cl6	0.000	1.684	-0.644
Cl7	1.459	-0.842	-0.644
Cl8	-1.459	-0.842	-0.644

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9239	1.4876	1.4876	1.4876	3.0284	3.0284	3.0284
C2	1.9239		2.7590	2.7590	2.7590	1.7856	1.7856	1.7856
H3	1.4876	2.7590		2.4606	2.4606	4.2885	3.3485	3.3485
H4	1.4876	2.7590	2.4606		2.4606	3.3485	3.3485	4.2885
H5	1.4876	2.7590	2.4606	2.4606		3.3485	4.2885	3.3485
Cl6	3.0284	1.7856	4.2885	3.3485	3.3485		2.9173	2.9173
Cl7	3.0284	1.7856	3.3485	3.3485	4.2885	2.9173		2.9173
Cl8	3.0284	1.7856	3.3485	4.2885	3.3485	2.9173	2.9173

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.393	Si1	C2	Cl7	109.393
Si1	C2	Cl8	109.393	C2	Si1	H3	107.254
C2	Si1	H4	107.254	C2	Si1	H5	107.254
H3	Si1	H4	111.595	H3	Si1	H5	111.595
H4	Si1	H5	111.595	Cl6	C2	Cl7	109.550
Cl6	C2	Cl8	109.550	Cl7	C2	Cl8	109.550

All results from a given calculation for SiH₃CCl₃ ((trichloromethyl)silane)

using model chemistry: B1B95/cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	Si	0.391
2	C	-0.402
3	H	-0.021
4	H	-0.021
5	H	-0.021
6	Cl	0.024
7	Cl	0.024
8	Cl	0.024

<r²>	272.748
(<r²>)^1/2	16.515

All results from a given calculation for SiH3CCl3 ((trichloromethyl)silane)

using model chemistry: B1B95/cc-pVDZ

States and conformations

All results from a given calculation for SiH₃CCl₃ ((trichloromethyl)silane)